SCHEMBL5592252

SCHEMBL5592252

CCOc1ccccc1N1CCN(CCCCCN2C(=O)CCC2=O)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.76
HTR7 P34969 10/20 0.76
MEN1 O00255 2/20 0.76
KMT2A Q03164 2/20 0.76
CYP1A2 P05177 1/20 0.76
CYP2C9 P11712 1/20 0.76
CYP2C19 P33261 1/20 0.76
DRD2 P14416 5/20 0.69
HTR2A P28223 3/20 0.69
HTR6 P50406 3/20 0.69
ADRA1D P25100 4/20 0.61
ADRA1A P35348 4/20 0.61
ADRA1B P35368 4/20 0.61
DRD3 P35462 2/20 0.58
DRD4 P21917 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
ALOX12 P18054 1/20 0.58
HIF1A Q16665 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL5592259 0.99 HTR1A (0.74) HTR1AHTR7MEN1KMT2ACYP1A2
SCHEMBL5592274 0.95 HTR1A (0.69) HTR1AHTR7MEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL5592366 0.94 HTR1A (0.68) HTR1AHTR7MEN1KMT2ACYP1A2
SCHEMBL5592187 0.91 HTR7 (0.73) HTR1AHTR7MEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL8156434 0.90 HTR1A (0.65) HTR1AHTR7MEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL5592294 0.90 HTR7 (0.71) HTR1AHTR7MEN1KMT2ACYP1A2
SCHEMBL5592295 0.88 HTR7 (0.97) HTR1AHTR7MEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL5592269 0.87 HTR7 (0.95) HTR1AHTR7MEN1KMT2ACYP1A2
SCHEMBL6017582 0.86 HTR7 (1.00) HTR1AHTR7MEN1KMT2ACYP1A2
SCHEMBL5592137 0.86 HTR1A (0.57) HTR1AHTR7MEN1KMT2ACYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007029078-A2 SUCCINIMIDE AND GLUTARIMIDE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO claimed
WO-2007029078-A2 SUCCINIMIDE AND GLUTARIMIDE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO disclosed